1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one

C20H25FN2O2 — CID 92787321

IUPAC1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@H](c2ccccc2F)N2CCCCC2)c1=O
InChIInChI=1S/C20H25FN2O2/c1-3-23-14(2)13-17(24)18(20(23)25)19(22-11-7-4-8-12-22)15-9-5-6-10-16(15)21/h5-6,9-10,13,19,24H,3-4,7-8,11-12H2,1-2H3/t19-/m0/s1
InChIKeyJXJUJKHDWWYXKU-IBGZPJMESA-N
MW344.43 g/mol
LogP3.60
Rot. Bonds4

About 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one

1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 92787321) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID92787321
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@H](c2ccccc2F)N2CCCCC2)c1=O
InChIInChI=1S/C20H25FN2O2/c1-3-23-14(2)13-17(24)18(20(23)25)19(22-11-7-4-8-12-22)15-9-5-6-10-16(15)21/h5-6,9-10,13,19,24H,3-4,7-8,11-12H2,1-2H3/t19-/m0/s1
InChIKeyJXJUJKHDWWYXKU-IBGZPJMESA-N
XLogP3.60
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54692533
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 93478795
1-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729093
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 54739341
1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739349
3-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703761
3-[(S)-(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739382
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 92762512
1-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729094
3-[(R)-(3-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739367

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one (CID 92787321) is 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)cc(O)c([C@H](c2ccccc2F)N2CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is JXJUJKHDWWYXKU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-3-23-14(2)13-17(24)18(20(23)25)19(22-11-7-4-8-12-22)15-9-5-6-10-16(15)21/h5-6,9-10,13,19,24H,3-4,7-8,11-12H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 344.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 92787321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).